tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate

C13H28N2O2 — CID 112688813

IUPACtert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
SMILESCCC(NCCNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C13H28N2O2/c1-7-11(10(2)3)14-8-9-15-12(16)17-13(4,5)6/h10-11,14H,7-9H2,1-6H3,(H,15,16)
InChIKeyYZOGRUOTYRJUHU-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.54
Rot. Bonds6

About tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate

tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate (PubChem CID 112688813) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
PubChem CID112688813
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nametert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
SMILESCCC(NCCNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C13H28N2O2/c1-7-11(10(2)3)14-8-9-15-12(16)17-13(4,5)6/h10-11,14H,7-9H2,1-6H3,(H,15,16)
InChIKeyYZOGRUOTYRJUHU-UHFFFAOYSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-(2-methylpentan-3-ylamino)butan-2-yl]carbamate
CID 103901727
tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate
CID 16743802
tert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate
CID 107254098
tert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate
CID 114985484
tert-butyl N-(2-methylpentan-3-ylamino)carbamate
CID 107237291
tert-butyl N-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]carbamate
CID 112688734
tert-butyl N-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl]carbamate
CID 112688735
tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245904
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]propanoate
CID 22737584
tert-butyl N-[2-[1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]ethyl]carbamate
CID 131048509
tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
CID 134128297
tert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate
CID 115654968

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate (CID 112688813) is tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate is CCC(NCCNC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate?
The InChIKey is YZOGRUOTYRJUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-7-11(10(2)3)14-8-9-15-12(16)17-13(4,5)6/h10-11,14H,7-9H2,1-6H3,(H,15,16).
What are the key properties of tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate?
tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate has a molecular weight of 244.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate is sourced from PubChem (CID 112688813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).